2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione

C15H16N2O3 — CID 113082746

IUPAC2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
SMILESCCC(=O)N1CCC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H16N2O3/c1-2-13(18)16-8-7-10(9-16)17-14(19)11-5-3-4-6-12(11)15(17)20/h3-6,10H,2,7-9H2,1H3
InChIKeyOZOURLKZLCQRAW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione

2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione (PubChem CID 113082746) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
PubChem CID113082746
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione
SMILESCCC(=O)N1CCC(N2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H16N2O3/c1-2-13(18)16-8-7-10(9-16)17-14(19)11-5-3-4-6-12(11)15(17)20/h3-6,10H,2,7-9H2,1H3
InChIKeyOZOURLKZLCQRAW-UHFFFAOYSA-N
XLogP1.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethylbutanoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082500
4-chloro-2-[1-(3-methylbutanoyl)pyrrolidin-3-yl]isoindole-1,3-dione
CID 113082847
2-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082538
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570
6-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082685
2-[1-(2-methylbenzoyl)piperidin-4-yl]isoindole-1,3-dione
CID 113082504
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918

Frequently Asked Questions

What is the IUPAC name of 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione (CID 113082746) is 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione is CCC(=O)N1CCC(N2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione?
The InChIKey is OZOURLKZLCQRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-13(18)16-8-7-10(9-16)17-14(19)11-5-3-4-6-12(11)15(17)20/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione?
2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione has a molecular weight of 272.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propanoylpyrrolidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 113082746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).